(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine

C24H33FN2 — CID 134187539

IUPAC(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine
SMILESC=C/C(=C\C(=C/C)CN/C(=C/C(C)=C(/F)C=C)C(C)C=C)C/N=C/C(=C)C
InChIInChI=1S/C24H33FN2/c1-9-19(7)24(13-20(8)23(25)12-4)27-17-22(11-3)14-21(10-2)16-26-15-18(5)6/h9-15,19,27H,1-2,4-5,16-17H2,3,6-8H3/b21-14+,22-11+,23-20+,24-13+,26-15+
InChIKeyJZAGSOUUNUCKPZ-KCZDFFPISA-N
MW368.54 g/mol
LogP6.42
Rot. Bonds12

About (4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine

(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine (PubChem CID 134187539) has the molecular formula C24H33FN2 and a molecular weight of 368.54 g/mol. Its IUPAC name is (4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine.

Molecular Properties

Compound Name(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine
PubChem CID134187539
Molecular FormulaC24H33FN2
Molecular Weight368.54 g/mol
Exact Mass368.26
IUPAC Name(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine
SMILESC=C/C(=C\C(=C/C)CN/C(=C/C(C)=C(/F)C=C)C(C)C=C)C/N=C/C(=C)C
InChIInChI=1S/C24H33FN2/c1-9-19(7)24(13-20(8)23(25)12-4)27-17-22(11-3)14-21(10-2)16-26-15-18(5)6/h9-15,19,27H,1-2,4-5,16-17H2,3,6-8H3/b21-14+,22-11+,23-20+,24-13+,26-15+
InChIKeyJZAGSOUUNUCKPZ-KCZDFFPISA-N
XLogP6.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.54
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine?
The IUPAC name of (4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine (CID 134187539) is (4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine.
What is the SMILES notation for (4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine?
The canonical SMILES for (4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine is C=C/C(=C\C(=C/C)CN/C(=C/C(C)=C(/F)C=C)C(C)C=C)C/N=C/C(=C)C.
What is the InChIKey of (4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine?
The InChIKey is JZAGSOUUNUCKPZ-KCZDFFPISA-N. The full InChI is InChI=1S/C24H33FN2/c1-9-19(7)24(13-20(8)23(25)12-4)27-17-22(11-3)14-21(10-2)16-26-15-18(5)6/h9-15,19,27H,1-2,4-5,16-17H2,3,6-8H3/b21-14+,22-11+,23-20+,24-13+,26-15+.
What are the key properties of (4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine?
(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine has a molecular weight of 368.54 g/mol, XLogP of 6.42, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine is sourced from PubChem (CID 134187539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).